Geometry & MOs

Info

ID:	68968
PubChem CID:	46514309
Reduced:	ClSO2N4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	40.11
Dipole, Da:	5.33
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,6-trimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CSC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations